(3S)-1-benzhydrylpiperidin-3-amine

C18H22N2 — CID 126674117

IUPAC(3S)-1-benzhydrylpiperidin-3-amine
SMILESN[C@H]1CCCN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C18H22N2/c19-17-12-7-13-20(14-17)18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14,19H2/t17-/m0/s1
InChIKeyITWZMNKUKFBMIP-KRWDZBQOSA-N
MW266.39 g/mol
LogP3.20
Rot. Bonds3

About (3S)-1-benzhydrylpiperidin-3-amine

(3S)-1-benzhydrylpiperidin-3-amine (PubChem CID 126674117) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is (3S)-1-benzhydrylpiperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-benzhydrylpiperidin-3-amine
PubChem CID126674117
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name(3S)-1-benzhydrylpiperidin-3-amine
SMILESN[C@H]1CCCN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C18H22N2/c19-17-12-7-13-20(14-17)18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14,19H2/t17-/m0/s1
InChIKeyITWZMNKUKFBMIP-KRWDZBQOSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzhydryl-3-ethylpiperidine
CID 22970041
1-benzhydrylpiperidin-4-amine;cyclobutane
CID 18425735
(3R)-1-benzhydryl-3-methylsulfonylpiperidine
CID 125141980
4-[(3-aminoazetidin-1-yl)-phenylmethyl]phenol
CID 65244438
1-[phenyl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid
CID 3536798
3-[1-(3-aminopiperidin-1-yl)ethyl]benzonitrile
CID 63991329
1-(1-benzhydrylpyrrolidin-3-yl)-N-methylmethanamine;ethane
CID 91616896
1-benzhydryl-3-(chloromethyl)azetidine
CID 15015453
(1R)-3-(3-aminopiperidin-1-yl)-1-phenylpropan-1-ol
CID 112742222
(3S)-1-[(3R)-3-phenylbutyl]piperidin-3-amine
CID 129366524
1-[iodo(phenyl)methyl]piperidin-4-amine
CID 19366322
1-[1-(4-chlorophenyl)ethyl]piperidin-3-amine
CID 61297742

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzhydrylpiperidin-3-amine?
The IUPAC name of (3S)-1-benzhydrylpiperidin-3-amine (CID 126674117) is (3S)-1-benzhydrylpiperidin-3-amine.
What is the SMILES notation for (3S)-1-benzhydrylpiperidin-3-amine?
The canonical SMILES for (3S)-1-benzhydrylpiperidin-3-amine is N[C@H]1CCCN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of (3S)-1-benzhydrylpiperidin-3-amine?
The InChIKey is ITWZMNKUKFBMIP-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N2/c19-17-12-7-13-20(14-17)18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14,19H2/t17-/m0/s1.
What are the key properties of (3S)-1-benzhydrylpiperidin-3-amine?
(3S)-1-benzhydrylpiperidin-3-amine has a molecular weight of 266.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzhydrylpiperidin-3-amine is sourced from PubChem (CID 126674117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).